2-(1-adamantyl)-8-bromanyl-4-oxidanidyl-1,2,3,4-benzotetrazin-4-ium-6-one

Systemtic Name: 2-(1-adamantyl)-8-bromanyl-4-oxidanidyl-1,2,3,4-benzotetrazin-4-ium-6-one Openeye Name: 2-(1-adamantyl)-8-bromo-4-oxido-1,2,3,4-benzotetrazin-4-ium-6-one CAS Name: 2-(1-adamantyl)-8-bromo-4-oxido-1,2,3,4-benzotetrazin-4-ium-6-one IUPAC Name: 2-(1-adamantyl)-8-bromo-4-oxido-1,2,3,4-benzotetrazin-4-ium-6-one Traditional Name: 2-(1-adamantyl)-8-bromo-4-oxido-1,2,3,4-benzotetrazin-4-ium-6-one Formula: C16H17BrN4O2 MolecularWeight: 377.23578

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4N=C5C(=CC(=O)C=C5Br)[N+](=N4)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4N=C5C(=CC(=O)C=C5Br)[N+](=N4)[O-]

InChI

InChI=1S/C16H17BrN4O2/c17-13-4-12(22)5-14-15(13)18-21(19-20(14)23)16-6-9-1-10(7-16)3-11(2-9)8-16/h4-5,9-11H,1-3,6-8H2